CID 157097916

H3NaO6S2 — CID 157097916

IUPAC—
SMILESO=S(O)S(=O)(=O)O.[Na+].[OH-]
InChIInChI=1S/Na.H2O5S2.H2O/c;1-6(2)7(3,4)5;/h;(H,1,2)(H,3,4,5);1H2/q+1;;/p-1
InChIKeyAFKPVBVPJSGJGP-UHFFFAOYSA-M
MW186.14 g/mol
LogP-4.16
Rot. Bonds1

About CID 157097916

CID 157097916 (PubChem CID 157097916) has the molecular formula H3NaO6S2 and a molecular weight of 186.14 g/mol.

Molecular Properties

Compound NameCID 157097916
PubChem CID157097916
Molecular FormulaH3NaO6S2
Molecular Weight186.14 g/mol
Exact Mass185.93
IUPAC Name—
SMILESO=S(O)S(=O)(=O)O.[Na+].[OH-]
InChIInChI=1S/Na.H2O5S2.H2O/c;1-6(2)7(3,4)5;/h;(H,1,2)(H,3,4,5);1H2/q+1;;/p-1
InChIKeyAFKPVBVPJSGJGP-UHFFFAOYSA-M
XLogP-4.16
TPSA121.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.14
LogP ≤ 5-4.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 157097916?
The IUPAC name of CID 157097916 (CID 157097916) is not available.
What is the SMILES notation for CID 157097916?
The canonical SMILES for CID 157097916 is O=S(O)S(=O)(=O)O.[Na+].[OH-].
What is the InChIKey of CID 157097916?
The InChIKey is AFKPVBVPJSGJGP-UHFFFAOYSA-M. The full InChI is InChI=1S/Na.H2O5S2.H2O/c;1-6(2)7(3,4)5;/h;(H,1,2)(H,3,4,5);1H2/q+1;;/p-1.
What are the key properties of CID 157097916?
CID 157097916 has a molecular weight of 186.14 g/mol, XLogP of -4.16, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157097916 is sourced from PubChem (CID 157097916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).